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Investigating a Fluorobenzene Based Single Electron Transistor As a Toxic Gas Sensor

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Abstract

A fluorobenzene based single electron transistor (SET) has been investigated for the detection of toxic gases viz. NH3, HCN, AsH3, and COCl2, within the framework of density functional theory (DFT) formalism based first-principles approach. Initially, the adsorption mechanism between the fluorobenzene quantum dot and the toxic gases (NH3, HCN, AsH3, and COCl2) has been analyzed in terms of adsorption energy, distance of adsorption, DOS profiles and the charge transfer analysis. Later, the exclusive property of charge stability diagram of SET has been utilized to provide the necessary electronic fingerprints for detection of toxic gases. The results suggest that the fluorobenzene SET can be a potential sensor for proposed toxic gases based on the wide operational temperature range and high detection ability as witnessed from the electronic fingerprints.

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Acknowledgment

The authors are thankful to the ABV-Indian Institute of Information Technology and Management, Gwalior, India, for providing computational facilities at CNT Lab. KG and RM are thankful to the Science and Engineering Research Board, Department of Science and Technology, India (DST No. EMR/2017/000344) for the Junior Research Fellowship.

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Authors and Affiliations

  1. Advanced Materials Research Group, CNT Laboratory, ABV–Indian Institute of Information Technology and Management, Gwalior, M.P., 474010, India

    Kumar Gaurav, Ravi Mehla & Anurag Srivastava

  2. Department of Computer Science and Engineering, Indian Institute of Information Technology, Kottayam, Kerala, 686635, India

    Boddepalli SanthiBhushan

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  1. Kumar Gaurav
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  3. Ravi Mehla
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Correspondence to Anurag Srivastava.

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Gaurav, K., SanthiBhushan, B., Mehla, R. et al. Investigating a Fluorobenzene Based Single Electron Transistor As a Toxic Gas Sensor. J. Electron. Mater. 50, 1022–1031 (2021). https://doi.org/10.1007/s11664-020-08663-0

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  • DOI: https://doi.org/10.1007/s11664-020-08663-0

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